2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide

C15H28N4O4 — CID 128968365

IUPAC2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
SMILESCN(CC(N)=O)CC1CN(C(=O)NCCC2CCCO2)CCO1
InChIInChI=1S/C15H28N4O4/c1-18(11-14(16)20)9-13-10-19(6-8-23-13)15(21)17-5-4-12-3-2-7-22-12/h12-13H,2-11H2,1H3,(H2,16,20)(H,17,21)
InChIKeyHXNQFUNLCKJBIL-UHFFFAOYSA-N
MW328.41 g/mol
LogP-0.62
Rot. Bonds7

About 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide

2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide (PubChem CID 128968365) has the molecular formula C15H28N4O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
PubChem CID128968365
Molecular FormulaC15H28N4O4
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide
SMILESCN(CC(N)=O)CC1CN(C(=O)NCCC2CCCO2)CCO1
InChIInChI=1S/C15H28N4O4/c1-18(11-14(16)20)9-13-10-19(6-8-23-13)15(21)17-5-4-12-3-2-7-22-12/h12-13H,2-11H2,1H3,(H2,16,20)(H,17,21)
InChIKeyHXNQFUNLCKJBIL-UHFFFAOYSA-N
XLogP-0.62
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(cyclopenten-1-yl)ethyl]morpholine-4-carboxamide
CID 128966455
2-[[4-[2-(2,3-dihydro-1H-inden-2-yl)ethylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122007892
2-[methyl-[[(2R)-4-[(2S,5R)-5-methyloxolane-2-carbonyl]morpholin-2-yl]methyl]amino]acetamide
CID 129333738
2-[[4-[(2,3-dimethylcyclohexyl)methylcarbamoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122012720
2-[[4-[2-(dimethylamino)butanoyl]morpholin-2-yl]methyl-methylamino]acetamide
CID 128975039
2-[[(2S)-4-[(1S)-cyclohex-2-en-1-yl]morpholin-2-yl]methyl-methylamino]acetamide
CID 124875437
2-[[(2S)-4-(cycloheptene-1-carbonyl)morpholin-2-yl]methyl-methylamino]acetamide
CID 129477993
2-[[(2R)-4-[(1S)-3,3-difluorocyclohexanecarbonyl]morpholin-2-yl]methyl-methylamino]acetamide
CID 124917958
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-(2-methyl-4-pyridinyl)morpholine-4-carboxamide
CID 167933180
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 95612335
2-[methyl-[[(2S)-4-[(2S)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340143
2-[methyl-[[(2R)-4-[(2R)-2-methylsulfanylbutanoyl]morpholin-2-yl]methyl]amino]acetamide
CID 129340141

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide (CID 128968365) is 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide is CN(CC(N)=O)CC1CN(C(=O)NCCC2CCCO2)CCO1.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide?
The InChIKey is HXNQFUNLCKJBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O4/c1-18(11-14(16)20)9-13-10-19(6-8-23-13)15(21)17-5-4-12-3-2-7-22-12/h12-13H,2-11H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide?
2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide has a molecular weight of 328.41 g/mol, XLogP of -0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-methylamino]methyl]-N-[2-(oxolan-2-yl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 128968365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).